CID 5374

Talipexole

Structural Information

Molecular Formula
C10H15N3S
SMILES
C=CCN1CCC2=C(CC1)SC(=N2)N
InChI
InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
InChIKey
DHSSDEDRBUKTQY-UHFFFAOYSA-N
Compound name
6-prop-2-enyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

452
References

7857
Patents

209.09866 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.10594 145.4
[M+Na]+ 232.08788 151.5
[M-H]- 208.09138 147.9
[M+NH4]+ 227.13248 163.4
[M+K]+ 248.06182 151.5
[M+H-H2O]+ 192.09592 137.9
[M+HCOO]- 254.09686 159.6
[M+CH3COO]- 268.11251 156.4
[M+Na-2H]- 230.07333 146.0
[M]+ 209.09811 140.9
[M]- 209.09921 140.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.